10. Howto discussions
These doc pages describe how to perform various tasks with LAMMPS, both
for users and developers. The example input scripts included in the
examples directory of the LAMMPS source code distribution and
highlighted on the Example scripts page also show how to set up and run
various kinds of simulations.
10.1. General howto
10.2. Settings howto
10.3. Analysis howto
- 10.3.1. Output from LAMMPS (thermo, dumps, computes, fixes, variables)
- 10.3.2. Output structured data from LAMMPS
- 10.3.3. Use chunks to calculate system properties
- 10.3.4. Using distributed grids
- 10.3.5. Calculate temperature
- 10.3.6. Calculate elastic constants
- 10.3.7. Calculate thermal conductivity
- 10.3.8. Calculate viscosity
- 10.3.9. Calculate diffusion coefficients
10.4. Force fields howto
- 10.4.1. Some general force field considerations
- 10.4.2. CHARMM, AMBER, COMPASS, ClassII-xe, DREIDING, and OPLS force fields
- 10.4.3. AMBER to LAMMPS Tutorial
- 10.4.4. AMOEBA and HIPPO force fields
- 10.4.5. TIP3P water model
- 10.4.6. TIP4P and OPC water models
- 10.4.7. TIP5P water model
- 10.4.8. SPC and SPC/E water model
- 10.4.9. Two-band (and multi-band) EAM potentials with hybrid/overlay
10.5. Packages howto
- 10.5.1. Finite-size spherical and aspherical particles
- 10.5.2. Granular models
- 10.5.3. Granular surfaces
- 10.5.4. Body particles
- 10.5.5. Bonded particle models
- 10.5.6. Polarizable models
- 10.5.7. Adiabatic core/shell model
- 10.5.8. Drude induced dipoles
- 10.5.9. Tutorial for Thermalized Drude oscillators in LAMMPS
- 10.5.10. Peridynamics with LAMMPS
- 10.5.11. Manifolds (surfaces)
- 10.5.12. Reproducing hydrodynamics and elastic objects (RHEO)
- 10.5.13. Magnetic spins
- 10.5.14. Adaptive-precision interatomic potentials (APIP)
- 10.5.15. Local Density Dependent Potentials via LDD
- 10.5.16. Fenix online recovery
10.6. Tutorials howto
The following tutorials explain step by step how to compile LAMMPS, how to use it from Python or with external tools, and how to contribute to its development. Tutorials on how to perform simulations with LAMMPS are available elsewhere, e.g. in the LAMMPS tutorials collection. Those and other tutorial collections can also be started from the Tutorials menu of LAMMPS-GUI, which downloads the required files and opens the corresponding online instructions.